2-[2,6-bis(chloranyl)-4-thianthren-1-yl-phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2,6-bis(chloranyl)-4-thianthren-1-yl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-(2,6-dichloro-4-thianthren-1-yl-phenoxy)-3-phenyl-propanoic acid CAS Name: 2-[2,6-dichloro-4-(1-thianthrenyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-(2,6-dichloro-4-thianthren-1-ylphenoxy)-3-phenylpropanoic acid Traditional Name: 2-(2,6-dichloro-4-thianthren-1-yl-phenoxy)-3-phenyl-propionic acid Formula: C27H18Cl2O3S2 MolecularWeight: 525.46602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C=C(C=C2Cl)C3=C4C(=CC=C3)SC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C=C(C=C2Cl)C3=C4C(=CC=C3)SC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H18Cl2O3S2/c28-19-14-17(18-9-6-12-24-26(18)34-23-11-5-4-10-22(23)33-24)15-20(29)25(19)32-21(27(30)31)13-16-7-2-1-3-8-16/h1-12,14-15,21H,13H2,(H,30,31)